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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modular polyketide synthase contains two reaction chambers that operate asynchronously

Type I modular polyketide synthases are homodimeric multidomain assembly line enzymes that synthesize a variety of polyketide natural products by performing polyketide chain extension and β-keto group modification reactions. We determined the 2.4-angstrom-resolution x-ray crystal structure and the 3.1-angstrom-resolution cryo–electron microscopy structure of the Lsd14 polyketide synthase, stalled at the transacylation and condensation steps, respectively. These structures revealed how the constituent domains are positioned relative to each other, how they rearrange depending on the step in the reaction cycle, and the specific interactions formed between the domains. Like the evolutionarily related mammalian fatty acid synthase, Lsd14 contains two reaction chambers, but only one chamber in Lsd14 has the full complement of catalytic domains, indicating that only one chamber produces the polyketide product at any given time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A modular ultra-high vacuum millikelvin scanning tunneling microscope

We describe the design, construction, and performance of an ultra-high vacuum (UHV) scanning tunneling microscope (STM) capable of imaging at dilution-refrigerator temperatures and equipped with a vector magnet. The primary objective of our design is to achieve a high level of modularity by partitioning the STM system into a set of easily separable, interchangeable components. This naturally segregates the UHV needs of STM instrumentation from the typically non-UHV construction of a dilution refrigerator, facilitating the usage of non-UHV materials while maintaining a fully bakeable UHV chamber that houses the STM. Here, the modular design also permits speedy removal of the microscope head from the rest of the system, allowing for repairs, modifications, and even replacement of the entire microscope head to be made at any time without warming the cryostat or compromising the vacuum. Without using cryogenic filters, we measured an electron temperature of 184 mK on a superconducting Al(100) single crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Tunable Multisite Proton-Coupled Electron Transfer Mediators: Distinct Pathways for Substrate Reduction Versus Competing Hydrogen Evolution

Proton-coupled electron transfer (PCET) reagents have emerged as powerful tools for transferring net H atoms to organic substrates from relatively weak X–H bonds. One advantage of employing PCET reagents is the tunability of the X–H bond strength by independently varying their redox potential and/or p K a for selective substrate reductions; however, the rational development of modular catalytic PCET reagents based on these features remains underdeveloped. In this work, we address important mechanistic questions relevant to a dimethylaniline-appended cobaltocene PCET mediator that our lab has previously introduced. Specifically, we examine where protonation occurs within the reactive Co(II, NH) + intermediate of a Brønsted-base modified cobaltocene mediator, whether substrate reduction and hydrogen evolution reaction (HER) proceed by a common or bifurcated mechanistic pathway, and how the redox, acid–base, and structural properties of PCET mediators can dictate their reactivity and selectivity. We show that substrate compatibility can be tuned and, via a model study with N -aryl imine substrates, provide data pointing to a multisite PCET (MS-PCET) pathway. Moreover, we rigorously characterize the site of protonation in the reactive reduced, protonated form of the mediator, and through kinetic analysis establish that the pathway for undesired competing HER is fundamentally different and involves Cp-ring protonation. Our findings point to a high degree of flexibility in the design of reductive PCET mediators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Electrical signaling in fungi: past and present challenges

Abstract Electrical signaling is a fundamental mechanism for integrating environmental stimuli and coordinating responses in living organisms. While extensively studied in animals and plants, the role of electrical signaling in fungi remains a largely underexplored field. Early studies suggested that filamentous fungi generate action potential-like signals and electrical currents at hyphal tips, yet their function in intracellular communication remained unclear. Renewed interest in fungal electrical activity has fueled developments such as the hypothesis that mycorrhizal networks facilitate electrical communication between plants and the emerging field of fungal-based electronic materials. Given their continuous plasma membrane, specialized septal pores, and insulating cell wall structures, filamentous fungi possess architectural features that could support electrical signaling over long distances. However, studying electrical phenomena in fungal networks presents unique challenges due to the microscopic dimensions of hyphae, the structural complexity of highly modular mycelial networks, and the limitations of traditional electrophysiological methods. This review synthesizes current evidence for electrical signaling in filamentous fungi, evaluates methodological approaches, and highlights experimental challenges. By addressing these challenges and identifying best practices, we aim to advance research in this field and provide a foundation for future studies exploring the role of electrical signaling in fungal biology.

Buffi, Matteo↗
NASA NTRS2016

High Temperature Boost (HTB) Anode Power Supply for a Modular and Scalable Power Processing Unit

A concept of a modular and scalable 10kW to 80kW High Temperature Boost (HTB) Power Processing Unit (PPU) capable of operating at temperatures beyond the standard military temperature range was proposed for solar electric in-space propulsion. Within the PPU, the Anode Power Supply (APS) module is a 10kW modular power stage and is the key to the HTB PPU. This paper is to present the design, development, fabrication, testing and thermal demonstration of the 10kW HTB APS. The system architecture and the paradigm shift of the HTB PPU is also to be described. In addition, the extreme environments electronic and packaging technologies are addressed as the fundamental technology path. The HTB PPU is intended for power processing in the area of space solar electric propulsion, where reduction of in-space mass and volume are desired, and sometimes even critical, to achieve the goals of future space flight missions. The concept of the HTB PPU can also be applied to other extreme environment applications, such as geothermal and petroleum deep-well drilling, where higher temperature operation is required.

Carr, Gregory A.↗
DOE OSTI2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Miniaturized Airborne Imaging Central Server System

In recent years, some remote-sensing applications require advanced airborne multi-sensor systems to provide high performance reflective and emissive spectral imaging measurement rapidly over large areas. The key or unique problem of characteristics is associated with a black box back-end system that operates a suite of cutting-edge imaging sensors to collect simultaneously the high throughput reflective and emissive spectral imaging data with precision georeference. This back-end system needs to be portable, easy-to-use, and reliable with advanced onboard processing. The innovation of the black box backend is a miniaturized airborne imaging central server system (MAICSS). MAICSS integrates a complex embedded system of systems with dedicated power and signal electronic circuits inside to serve a suite of configurable cutting-edge electro- optical (EO), long-wave infrared (LWIR), and medium-wave infrared (MWIR) cameras, a hyperspectral imaging scanner, and a GPS and inertial measurement unit (IMU) for atmospheric and surface remote sensing. Its compatible sensor packages include NASA s 1,024 1,024 pixel LWIR quantum well infrared photodetector (QWIP) imager; a 60.5 megapixel BuckEye EO camera; and a fast (e.g. 200+ scanlines/s) and wide swath-width (e.g., 1,920+ pixels) CCD/InGaAs imager-based visible/near infrared reflectance (VNIR) and shortwave infrared (SWIR) imaging spectrometer. MAICSS records continuous precision georeferenced and time-tagged multisensor throughputs to mass storage devices at a high aggregate rate, typically 60 MB/s for its LWIR/EO payload. MAICSS is a complete stand-alone imaging server instrument with an easy-to-use software package for either autonomous data collection or interactive airborne operation. Advanced multisensor data acquisition and onboard processing software features have been implemented for MAICSS. With the onboard processing for real time image development, correction, histogram-equalization, compression, georeference, and data organization, fast aerial imaging applications, including the real time LWIR image mosaic for Google Earth, have been realized for NASA fs LWIR QWIP instrument. MAICSS is a significant improvement and miniaturization of current multisensor technologies. Structurally, it has a complete modular and solid-state design. Without rotating hard drives and other moving parts, it is operational at high altitudes and survivable in high-vibration environments. It is assembled from a suite of miniaturized, precision-machined, standardized, and stackable interchangeable embedded instrument modules. These stackable modules can be bolted together with the interconnection wires inside for the maximal simplicity and portability. Multiple modules are electronically interconnected as stacked. Alternatively, these dedicated modules can be flexibly distributed to fit the space constraints of a flying vehicle. As a flexibly configurable system, MAICSS can be tailored to interface a variety of multisensor packages. For example, with a 1,024x1,024 pixel LWIR and a 8,984x6,732 pixel EO payload, the complete MAICSS volume is approximately 7x9x11 in. (=18x23x28 cm), with a weight of 25 lb (=11.4 kg).

Sun, Xiuhong↗
DOE OSTI2022

CRADA Number NFE-19-07851 with Electro-Active Technologies Inc. (CRADA Final Report)

Cooperative Research and Development Agreement (CRADA) NFE-19-07851 between Oak Ridge National Laboratory (ORNL) and Electro-Active Technologies Inc. focused on developing a modular stack system to produce renewable hydrogen from food waste and renewable electricity. Developing technologies that can produce renewable, affordable hydrogen is key to enabling wider adoption of fuel cell technologies. Electro-Active has developed a microbial electrolysis process that leverages microbes growing on an anode to convert waste into electrons and protons, which are recombined and reacted with the help of an additional applied voltage to generate pure hydrogen at a cathode. The work done under the CRADA focused on developing a deeper understanding of the microbial community biocatalyst and how feedstock and process conditions affect structure and function in a prototype system in order to increase and sustain performance. Analysis indicates that developing a robust microbial community for conversion of food waste feedstocks at high rates within a microbial electrolysis system is possible, as well as maintaining this optimal microbial biocatalyst in larger systems. However, further work is needed to maintain performance in the system as it is scaled up to enable commercial deployment of the technology.

08 HYDROGEN↗
NASA NTRS1995

Application of Ni-63 photo and corona discharge ionization for the analysis of chemical warfare agents and toxic wastes

Over the past decade, advances in instrumental design and refinements in the understanding of ion molecule reactions at atmospheric pressure enabled the application of Ion Mobility Spectrometry (IMS) as a simple inexpensive and sensitive analytical method for the detection of organic trace compounds. Positive and negative gas-phase ions for ion mobility spectrometry have been produced by a variety of methods, including photo-ionization, laser multi photon ionization, surface ionization, corona discharge ionization. The most common ion source used in ion mobility spectrometry is a radioactive Ni-63 foil which is favored due to simplicity, stability, convenience, and high selectivity. If reactant ions like (H2O(n)H)(+) or (H2O(n)O2)(-) dominate in the reaction region, nearly all kinds of compounds with a given proton or electron affinity; are ionized. However, the radioactivity of the Ni-63 foil is one disadvantage of this ion source that stimulates the development and application of other ionization techniques. In this paper, we report analyses of old chemical warfare agents and toxic wastes using Bruker RAID ion mobility spectrometers. Due to the modular construction of the measuring cell, the spectrometers can be equipped with different ion sources. The combined use of Ni-63, photo- and corona discharge ionization allows the identification of different classes of chemical compounds and yields in most cases comparable results.

Stach, J.↗
DOE OSTI2022

Operational Resilience of Nuclear-Renewable Integrated-Energy Microgrids

The increasing prevalence and severity of wildfires, severe storms, and cyberattacks is driving the introduction of numerous microgrids to improve resilience locally. While distributed energy resources (DERs), such as small-scale wind and solar photovoltaics with storage, will be major components in future microgrids, today, the majority of microgrids are backed up with fossil-fuel-based generators. Small modular reactors (SMRs) can form synergistic mix with DERs due to their ability to provide baseload and flexible power. The heat produced by SMRs can also fulfill the heating needs of microgrid consumers. This paper discusses an operational scheme based on distributed control of flexible power assets to strengthen the operational resilience of SMR-DER integrated-energy microgrids. A framework is developed to assess the operational resilience of SMR-DER microgrids in terms of system adaptive real-power capacity quantified as a response area metric (RAM). Month-long simulation results are shown with a microgrid developed in a modified Institute of Electrical and Electronics Engineers (IEEE)-30 bus system. The RAM values calculated along the operational simulation reflect the system resilience in real time and can be used to supervise the microgrid operation and reactor’s autonomous control.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Automating Testing of DUNE Electronics via a Finite State Machine

The Deep Underground Neutrino Experiment (DUNE) is a flagship international collaboration designed to study neutrinos tiny, nearly massless particles that may hold answers to fundamental questions about the Universe. Fermilab s Robotic Test Stand (RTS) plays a critical role in ensuring the quality of approximately 50,000 Application-Specific Integrated Circuit (ASIC) chips that will be used in DUNE s massive liquid argon detectors. These electronics will be inside the cryostat; therefore, they will need to have a high yield of working chips and low noise. To improve the automation and reliability of the RTS, this project focused on designing and implementing a Python-based finite state machine (FSM) to manage chip handling workflows. The FSM was developed as a modular software framework to coordinate robotic arm movements, manage chip tray positions, and monitor system states during testing. Key features include robust error handling routines, a pause/resume system for safe mid-cycle interruptions, and a simulation mode for iterative testing without hardware dependencies. The system was designed to prepare for seamless integration with RTS hardware components such as the robotic arm and vision system. This integration will streamline collaboration and enable efficient deployment of updates across the six total institutions performing testing. The outcomes of this internship contribute to Fermilab s mission to advance high-energy physics and support the DOE s national goals by directly improving the testing of equipment to be used in DUNE. The project also provided valuable experience in software design and contributing to the success of DUNE.

Kang, Caleb [William Rainey Harper Coll.]↗
NASA NTRS1981

High-stability Shuttle pointing system

It was recognized that precision pointing provided by the Orbiter's attitude control system would not be good enough for Shuttle payload scientific experiments or certain Defense department payloads. The Annular Suspension Pointing System (ASPS) is being developed to satisfy these more exacting pointing requirements. The ASPS is a modular pointing system which consists of two principal parts, including an ASPS Gimbal System (AGS) which provides three conventional ball-bearing gimbals and an ASPS Vernier System (AVS) which magnetically isolates the payload. AGS performance requirements are discussed and an AGS system description is given. The overall AGS system consists of the mechanical hardware, sensors, electronics, and software. Attention is also given to system simulation and performance prediction, and support facilities.

Van Riper, R.↗
DOE OSTI2025

Automating Testing of DUNE Electronics via a Finite State Machine

The Deep Underground Neutrino Experiment (DUNE) is a flagship international collaboration designed to study neutrinos—tiny, nearly massless particles that may hold answers to fundamental questions about the Universe. Fermilab’s Robotic Test Stand (RTS) plays a critical role in ensuring the quality of approximately 50,000 Application-Specific Integrated Circuit (ASIC) chips that will be used in DUNE’s massive liquid argon detectors. These electronics will be inside the cryostat; therefore, they will need to have a high yield of working chips and low noise. To improve the automation and reliability of the RTS, this project focused on designing and implementing a Python-based finite state machine (FSM) to manage chip handling workflows. The FSM was developed as a modular software framework to coordinate robotic arm movements, manage chip tray positions, and monitor system states during testing. Key features include robust error handling routines, a pause/resume system for safe mid-cycle interruptions, and a simulation mode for iterative testing without hardware dependencies. The system was designed to prepare for seamless integration with RTS hardware components such as the robotic arm and vision system. This integration will streamline collaboration and enable efficient deployment of updates across the six institutions performing testing. The outcomes of this internship contribute to Fermilab’s mission to advance high-energy physics and support the DOE’s national goals by directly improving the testing of equipment to be used in DUNE. The project also provided valuable experience in software design and contributing to the success of DUNE.

Kang, Caleb [Fermilab]↗
DOE OSTI2022

Conceptual design of the modular detector and readout system for the CMB-S4 survey experiment

We present the conceptual design of the modular detector and readout system for the Cosmic Microwave Background – Stage four (CMB-S4) ground-based survey experiment. CMB-S4 will map the cosmic microwave background (CMB) and the millimeter-wave sky to unprecedented sensitivity, using 500,000 superconducting detectors observing from Chile and Antarctica to map over 60% of the sky. The fundamental building block of the detector and readout system is a detector module package operated at 100 mK, which is connected to a readout and amplification chain that carries signals out to room temperature. It uses arrays of feedhorn-coupled orthomode transducers (OMT) that collect optical power from the sky onto dc-voltage-biased transition-edge sensor (TES) bolometers. The resulting current signal in the TESs is then amplified by a two-stage cryogenic Superconducting Quantum Interference Device (SQUID) system with a time-division multiplexer to reduce wire count, and matching room-temperature electronics to condition and transmit signals to the data acquisition system. Sensitivity and systematics requirements are being developed for the detector and readout system over wide range of observing bands (20 to 300 GHz) and optical powers to accomplish CMB-S4’s science goals. While the design incorporates the successes of previous generations of CMB instruments, CMB-S4 requires an order of magnitude more detectors than any prior experiment. This requires fabrication of complex superconducting circuits on over 10 m2 of silicon, as well as significant amounts of precision wiring, assembly and cryogenic testing

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Metal-Tipped and Electrochemically Wired Semiconductor Nanocrystals: Modular Constructs for Directed Charge Transfer

In our 2017 proposal to the Solar Photochemistry division of DOE/BES/Office of Science we targeted the creation, characterization and integratation of new II-IV semiconductor heterostructured nanomaterials into ultra-thin film (tethered) nanocrystalline arrays on transparent metal oxide (TCO) supports. Materials were to include CdSe quantum dots (QDs), asymmetric CdSe@CdS tetrapods (TPs) and CdSe@CdS nanorods (NRs), into unique photoelectrochemical platforms. The ultimate goal was to tether these new nanomaterials to either electron- or hole-selective oxide interlayers that would afford vectoral photo-induced charge transfer and ultimately formation of molecular products such as H 2 . This was an ambitious set of goals but integrated well with our previous work in this general area.

14 SOLAR ENERGY↗
DOE OSTI2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

High Performance Power Module for Hall Effect Thrusters

Previous efforts to develop power electronics for Hall thruster systems have targeted the 1 to 5 kW power range and an output voltage of approximately 300 V. New Hall thrusters are being developed for higher power, higher specific impulse, and multi-mode operation. These thrusters require up to 50 kW of power and a discharge voltage in excess of 600 V. Modular power supplies can process more power with higher efficiency at the expense of complexity. A 1 kW discharge power module was designed, built and integrated with a Hall thruster. The breadboard module has a power conversion efficiency in excess of 96 percent and weighs only 0.765 kg. This module will be used to develop a kW, multi-kW, and high voltage power processors.

Pinero, Luis R.↗